UCSF

ZINC34468244

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 11.64 -46.85 0 6 -1 83 413.91 5
Mid Mid (pH 6-8) 3.23 12.52 -52.86 1 6 0 85 414.918 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )